3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride

C16H27ClN2 — CID 120774495

IUPAC3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCc1cccc(C(C)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-12-6-5-7-14(10-12)13(2)18-9-8-15(17)16(3,4)11-18;/h5-7,10,13,15H,8-9,11,17H2,1-4H3;1H
InChIKeyAWSHPSRIUUQEAG-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.54
Rot. Bonds2

About 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 120774495) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
PubChem CID120774495
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCc1cccc(C(C)N2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-12-6-5-7-14(10-12)13(2)18-9-8-15(17)16(3,4)11-18;/h5-7,10,13,15H,8-9,11,17H2,1-4H3;1H
InChIKeyAWSHPSRIUUQEAG-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(4-amino-3,3-dimethylpiperidin-1-yl)ethyl]phenyl]benzamide
CID 120776587
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
N-methyl-1-[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922236
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926315
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
CID 120775307

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride (CID 120774495) is 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride is Cc1cccc(C(C)N2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The InChIKey is AWSHPSRIUUQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-12-6-5-7-14(10-12)13(2)18-9-8-15(17)16(3,4)11-18;/h5-7,10,13,15H,8-9,11,17H2,1-4H3;1H.
What are the key properties of 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120774495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).